(3S)-1-(4-fluoranyl-2-methylsulfonyl-phenyl)piperidine-3-carboxylate

Systemtic Name: (3S)-1-(4-fluoranyl-2-methylsulfonyl-phenyl)piperidine-3-carboxylate Openeye Name: (3S)-1-(4-fluoro-2-methylsulfonyl-phenyl)piperidine-3-carboxylate CAS Name: (3S)-1-(4-fluoro-2-methylsulfonylphenyl)-3-piperidinecarboxylate IUPAC Name: (3S)-1-(4-fluoro-2-methylsulfonylphenyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(4-fluoro-2-mesyl-phenyl)nipecotate Formula: C13H15FNO4S- MolecularWeight: 300.325903

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)F)N2CCCC(C2)C(=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)F)N2CCC[C@@H](C2)C(=O)[O-]

InChI

InChI=1S/C13H16FNO4S/c1-20(18,19)12-7-10(14)4-5-11(12)15-6-2-3-9(8-15)13(16)17/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,17)/p-1/t9-/m0/s1